1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide

C20H16F3NO3S — CID 6479596

IUPAC1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide
SMILESCOc1cccc(/C=C/c2cccc3cc(NS(=O)(=O)C(F)(F)F)ccc23)c1
InChIInChI=1S/C20H16F3NO3S/c1-27-18-7-2-4-14(12-18)8-9-15-5-3-6-16-13-17(10-11-19(15)16)24-28(25,26)20(21,22)23/h2-13,24H,1H3/b9-8+
InChIKeyAGZGVZURSIWOCV-CMDGGOBGSA-N
MW407.41 g/mol
LogP5.28
Rot. Bonds5

About 1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide

1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide (PubChem CID 6479596) has the molecular formula C20H16F3NO3S and a molecular weight of 407.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide
PubChem CID6479596
Molecular FormulaC20H16F3NO3S
Molecular Weight407.41 g/mol
Exact Mass407.08
IUPAC Name1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide
SMILESCOc1cccc(/C=C/c2cccc3cc(NS(=O)(=O)C(F)(F)F)ccc23)c1
InChIInChI=1S/C20H16F3NO3S/c1-27-18-7-2-4-14(12-18)8-9-15-5-3-6-16-13-17(10-11-19(15)16)24-28(25,26)20(21,22)23/h2-13,24H,1H3/b9-8+
InChIKeyAGZGVZURSIWOCV-CMDGGOBGSA-N
XLogP5.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.41
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-[(2S,3R)-2-amino-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-8-yl]methanesulfonamide
CID 130392003
4-methoxy-3-methyl-N-2-naphthylbenzenesulfonamide
CID 893971
N-[2-amino-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-8-yl]methanesulfonamide
CID 132069281
6-methoxy-N-[4-[3-(trifluoromethyl)phenyl]phenyl]naphthalene-2-sulfonamide
CID 57400356
4-(6-Methoxynaphthalen-2-yl)aniline
CID 26597815
N-(2-Methyl-4'-phenoxy[1,1'-biphenyl]-4-yl)methanesulfonamide
CID 59313651
1,1,1-trifluoro-N-[3-(naphthalen-2-ylmethoxy)phenyl]methanesulfonamide
CID 14548138
N-[7-(naphthalen-2-ylmethoxy)naphthalen-2-yl]ethanesulfonamide
CID 14548147
N-[4-(3-methoxyphenyl)phenyl]naphthalene-2-sulfonamide
CID 57390827
N-[4-(3-fluorophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
CID 57399539
N-[4-(3-aminophenyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
CID 57403048
6-methoxy-N-(4-phenylphenyl)naphthalene-2-sulfonamide
CID 57403085

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide (CID 6479596) is 1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide is COc1cccc(/C=C/c2cccc3cc(NS(=O)(=O)C(F)(F)F)ccc23)c1.
What is the InChIKey of 1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide?
The InChIKey is AGZGVZURSIWOCV-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H16F3NO3S/c1-27-18-7-2-4-14(12-18)8-9-15-5-3-6-16-13-17(10-11-19(15)16)24-28(25,26)20(21,22)23/h2-13,24H,1H3/b9-8+.
What are the key properties of 1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide?
1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide has a molecular weight of 407.41 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[5-[(E)-2-(3-methoxyphenyl)ethenyl]naphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 6479596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).